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Rearrangement of 2,3-dihydro-1,2-diazepin-4-ol. Behavior of the molecular orbitals

✍ Scribed by Guillermo Ramı́rez Galicia; José Garcı́a; Manuel Rubio

Book ID
114143140
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
215 KB
Volume
458
Category
Article
ISSN
0166-1280

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📜 SIMILAR VOLUMES

Ab initio molecular orbital study of ene
Ab initio molecular orbital study of energies and conformers of 3,4-dihydro-1,2-dithiin, 3,6-dihydro-1,2-dithiin, 4H-1,3-dithiin, and 2,3-dihydro-1,4-dithiin
✍ Freeman, Fillmore; Lee, Choonsun; Po, Henry N.; Hehre, Warren J. 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 228 KB 👁 2 views

Optimized geometries and energies for 3,4-dihydro-1,2-dithiin Ž . Ž . Ž . Ž . 1 , 3,6-dihydro-1,2-dithiin 2 , 4H-1,3-dithiin 3 , and 2,3-dihydro-1,4-dithiin 4 were calculated using ab initio 6-31G U and MP2r6-31G U rr6-31G U methods. At the MP2r6-31G U rr6-31G U level, the half-chair conformer of 4